4-[2-[5-oxidanylidene-2-[(3R,4S)-3-oxidanyl-4-phenyl-pentyl]pyrazolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[5-oxidanylidene-2-[(3R,4S)-3-oxidanyl-4-phenyl-pentyl]pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(3R,4S)-3-hydroxy-4-phenyl-pentyl]-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(3R,4S)-3-hydroxy-4-phenylpentyl]-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(3R,4S)-3-hydroxy-4-phenylpentyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(3R,4S)-3-hydroxy-4-phenyl-pentyl]-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CCN2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[C@@H](CCN2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C23H28N2O4/c1-17(19-5-3-2-4-6-19)21(26)12-14-24-15-13-22(27)25(24)16-11-18-7-9-20(10-8-18)23(28)29/h2-10,17,21,26H,11-16H2,1H3,(H,28,29)/t17-,21+/m0/s1